![2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile structure](/static/products/3005/300587-68-2.webp)
2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
TL;DR: 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 300587-68-2) is a chemical compound with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile, 2-amino-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C23H23N5O5 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 3.27982 |
| Topological Polar Surface Area | 146.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.16992 |
| Heavy Atoms | 33 |
| Complexity | 1280.886 |
Chemical Identifiers
| CAS Number | 300587-68-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C)[N+](=O)[O-] |
Product Overview
2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 300587-68-2), with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol. IUPAC: 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Property Insights of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
The XLogP value of 3.27982 indicates that 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.3 Ų indicates high polarity, suggesting 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The CAS number of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is 300587-68-2.
What is the molecular formula of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular formula of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is C23H23N5O5.
What is the molecular weight of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular weight of 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is 449.17 g/mol.
Where can I buy 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
You can request a quote for 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.